Information card for entry 7118852

Structure parameters

• Formula: C15 H10 N2 O2
• Calculated formula: C15 H10 N2 O2
• SMILES: c1(n(=O)cnc2c1cccc2)C(=O)c1ccccc1
• Title of publication: Copper-catalyzed oxidative coupling between quinazoline 3-oxides and unactivated aldehydes: an efficient approach to functionalized quinazolines.
• Authors of publication: Fan, Liwen; Wang, Tao; Tian, Ying; Xiong, Fei; Wu, Simei; Liang, Qingjin; Zhao, Junfeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 31
• Pages of publication: 5375 - 5378
• a: 19.7366 ± 0.0015 Å
• b: 11.0069 ± 0.0008 Å
• c: 14.8933 ± 0.0011 Å
• α: 90°
• β: 130.433 ± 0.001°
• γ: 90°
• Cell volume: 2462.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No